8-[2-[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(Z)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(Z)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(Z)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-lauryl-3-methyl-xanthine Formula: C25H35BrN6O3 MolecularWeight: 547.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1NN/C=C\3/C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H35BrN6O3/c1-3-4-5-6-7-8-9-10-11-12-15-32-21-22(31(2)25(35)29-23(21)34)28-24(32)30-27-17-18-16-19(26)13-14-20(18)33/h13-14,16-17,27H,3-12,15H2,1-2H3,(H,28,30)(H,29,34,35)/b18-17-